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ZINC Item

Suppliers, Protomers, & Similar Substances

36537047

Analogs

36537048

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1R)-2-(tert-butylamino)-1-(2-furyl)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]benzamide N-[2-[[(1R)-2-(tert-butylamino)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.61	5.74	-12.65	2	7	0	92	371.437	7	↓ MOL2 SDF SMILES Flexibase

36537048

Analogs

36537047

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1S)-2-(tert-butylamino)-1-(2-furyl)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]benzamide N-[2-[[(1S)-2-(tert-butylamino)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.61	5.72	-12.58	2	7	0	92	371.437	7	↓ MOL2 SDF SMILES Flexibase

36537053

Analogs

36537054

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1R)-1-(2-furyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-methyl-amino]-2-oxo-ethyl]benz N-[2-[[(1R)-1-(2-furyl)-2-oxo-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.21	8.73	-11.95	2	7	0	92	427.545	9	↓ MOL2 SDF SMILES Flexibase

36537054

Analogs

36537053

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1S)-1-(2-furyl)-2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]-methyl-amino]-2-oxo-ethyl]benz N-[2-[[(1S)-1-(2-furyl)-2-oxo-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.21	8.89	-12.01	2	7	0	92	427.545	9	↓ MOL2 SDF SMILES Flexibase

36537055

Analogs

36537056

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1R)-2-(butylamino)-1-(2-furyl)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]benzamide N-[2-[[(1R)-2-(butylamino)-1-(2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.87	5.97	-13.11	2	7	0	92	371.437	9	↓ MOL2 SDF SMILES Flexibase

36537056

Analogs

36537055

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[(1S)-2-(butylamino)-1-(2-furyl)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]benzamide N-[2-[[(1S)-2-(butylamino)-1-(2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.87	5.96	-13.01	2	7	0	92	371.437	9	↓ MOL2 SDF SMILES Flexibase

22752526

Analogs

6302740
6450084
4408368

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-methyl-2-[methyl-[(5-methyl-2-furyl)methyl]amino]-2-oxo-ethyl]benzamide N-[(1S)-1-methyl-2-[methyl-[(5-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.69	6.76	-10.51	1	5	0	63	300.358	5	↓ MOL2 SDF SMILES Flexibase

22752872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2-furylmethyl-methyl-carbamoyl)-2-methyl-propyl]-4-methoxy-benzamide N-[(1S)-1-(2-furylmethyl-methyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.30	6.68	-13.6	1	6	0	72	344.411	7	↓ MOL2 SDF SMILES Flexibase

22752892

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2-furylmethyl-methyl-carbamoyl)-2-methyl-propyl]-3-methyl-benzamide N-[(1S)-1-(2-furylmethyl-methyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.67	7.96	-12.04	1	5	0	63	328.412	6	↓ MOL2 SDF SMILES Flexibase

22752905

Analogs

33674904
33674905
40159925

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2-furylmethyl-methyl-carbamoyl)-2-methyl-propyl]-3,5-dimethoxy-benzamide N-[(1S)-1-(2-furylmethyl-methyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.29	5.81	-14.01	1	7	0	81	374.437	8	↓ MOL2 SDF SMILES Flexibase

22752911

Analogs

33684778
33707334
36620196
40159926
16650231

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-difluoro-N-[(1S)-1-(2-furylmethyl-methyl-carbamoyl)-2-methyl-propyl]benzamide 2,6-difluoro-N-[(1S)-1-(2-furylm…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.48	7.29	-15.43	1	5	0	63	350.365	6	↓ MOL2 SDF SMILES Flexibase

22753045

Analogs

16650263
16650364
16652294

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-furylmethyl-methyl-amino)-2-oxo-ethyl]-4-methoxy-benzamide N-[2-(2-furylmethyl-methyl-amino…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.19	4.62	-11.23	1	6	0	72	302.33	6	↓ MOL2 SDF SMILES Flexibase

22753068

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(difluoromethoxy)-N-[2-(2-furylmethyl-methyl-amino)-2-oxo-ethyl]-3-methoxy-benzamide 4-(difluoromethoxy)-N-[2-(2-fury…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.34	4.82	-15.72	1	7	0	81	368.336	8	↓ MOL2 SDF SMILES Flexibase

58305229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]-2,5-dimethoxy-benzamide N-[(1S)-2-(2-furylmethylamino)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.81	3.91	-13.53	2	7	0	90	332.356	7	↓ MOL2 SDF SMILES Flexibase

58305230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]-2,5-dimethoxy-benzamide N-[(1R)-2-(2-furylmethylamino)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.81	3.91	-13.31	2	7	0	90	332.356	7	↓ MOL2 SDF SMILES Flexibase

69127133

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N-[(1S)-1-(2-furylmethylcarbamoyl)-3-methylsulfanyl-propyl]benzamide 2,4-dichloro-N-[(1S)-1-(2-furylm…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.96	6.96	-8.97	2	5	0	71	401.315	8	↓ MOL2 SDF SMILES Flexibase

69127136

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dichloro-N-[(1R)-1-(2-furylmethylcarbamoyl)-3-methylsulfanyl-propyl]benzamide 2,4-dichloro-N-[(1R)-1-(2-furylm…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.96	6.96	-8.83	2	5	0	71	401.315	8	↓ MOL2 SDF SMILES Flexibase

69127161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[(1R)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]benzamide 4-tert-butyl-N-[(1R)-2-(2-furylm…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.93	6.41	-9.37	2	5	0	71	328.412	6	↓ MOL2 SDF SMILES Flexibase

69127315

Analogs

9737954

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[(1R)-1-(2-furylmethylcarbamoyl)-2-methyl-propyl]benzamide 2-fluoro-N-[(1R)-1-(2-furylmethy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.12	5.59	-11.4	2	5	0	71	318.348	6	↓ MOL2 SDF SMILES Flexibase

69127338

Analogs

7910601

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]benzamide 2-chloro-N-[(1R)-2-(2-furylmethy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.85	4.6	-10.99	2	5	0	71	306.749	5	↓ MOL2 SDF SMILES Flexibase

69127356

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R)-1-(2-furylmethylcarbamoyl)-2-methyl-propyl]benzamide 2-chloro-N-[(1R)-1-(2-furylmethy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.63	6.1	-9.85	2	5	0	71	334.803	6	↓ MOL2 SDF SMILES Flexibase

69127418

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1R)-1-(2-furylmethylcarbamoyl)-2-methyl-propyl]benzamide 4-chloro-N-[(1R)-1-(2-furylmethy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.68	6.01	-7.53	2	5	0	71	334.803	6	↓ MOL2 SDF SMILES Flexibase

65522779

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-difluoro-N-[2-[[(1R)-1-(5-methyl-2-furyl)ethyl]amino]-2-oxo-ethyl]benzamide 3,5-difluoro-N-[2-[[(1R)-1-(5-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.43	5.01	-8.07	2	5	0	71	322.311	5	↓ MOL2 SDF SMILES Flexibase

65522782

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-difluoro-N-[2-[[(1S)-1-(5-methyl-2-furyl)ethyl]amino]-2-oxo-ethyl]benzamide 3,5-difluoro-N-[2-[[(1S)-1-(5-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.43	5.01	-8.04	2	5	0	71	322.311	5	↓ MOL2 SDF SMILES Flexibase

69722077

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R)-2-methyl-1-[[(1R)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 2-chloro-N-[(1R)-2-methyl-1-[[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.41	7.69	-9.1	2	5	0	71	362.857	6	↓ MOL2 SDF SMILES Flexibase

69722083

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R)-2-methyl-1-[[(1S)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 2-chloro-N-[(1R)-2-methyl-1-[[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.41	7.67	-9.17	2	5	0	71	362.857	6	↓ MOL2 SDF SMILES Flexibase

69722084

Analogs

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Popular Name: 2-chloro-N-[(1S)-2-methyl-1-[[(1R)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 2-chloro-N-[(1S)-2-methyl-1-[[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.41	7.67	-9.28	2	5	0	71	362.857	6	↓ MOL2 SDF SMILES Flexibase

69722089

Analogs

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Popular Name: 2-chloro-N-[(1S)-2-methyl-1-[[(1S)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 2-chloro-N-[(1S)-2-methyl-1-[[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.41	7.66	-8.96	2	5	0	71	362.857	6	↓ MOL2 SDF SMILES Flexibase

69722189

Analogs

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Popular Name: 4-fluoro-N-[(1R)-2-methyl-1-[[(1R)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 4-fluoro-N-[(1R)-2-methyl-1-[[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.95	7.3	-7.58	2	5	0	71	346.402	6	↓ MOL2 SDF SMILES Flexibase

69722192

Analogs

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Popular Name: 4-fluoro-N-[(1R)-2-methyl-1-[[(1S)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 4-fluoro-N-[(1R)-2-methyl-1-[[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.95	7.3	-7.75	2	5	0	71	346.402	6	↓ MOL2 SDF SMILES Flexibase

69722196

Analogs

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Popular Name: 4-fluoro-N-[(1S)-2-methyl-1-[[(1R)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 4-fluoro-N-[(1S)-2-methyl-1-[[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.95	7.45	-7.76	2	5	0	71	346.402	6	↓ MOL2 SDF SMILES Flexibase

69722199

Analogs

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Popular Name: 4-fluoro-N-[(1S)-2-methyl-1-[[(1S)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 4-fluoro-N-[(1S)-2-methyl-1-[[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.95	7.45	-7.58	2	5	0	71	346.402	6	↓ MOL2 SDF SMILES Flexibase

69722480

Analogs

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Popular Name: 4-ethoxy-N-[(1S)-2-methyl-1-[[(1S)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 4-ethoxy-N-[(1S)-2-methyl-1-[[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.22	7.41	-8.23	2	6	0	81	372.465	8	↓ MOL2 SDF SMILES Flexibase

69722485

Analogs

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Popular Name: 4-ethoxy-N-[(1R)-2-methyl-1-[[(1S)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 4-ethoxy-N-[(1R)-2-methyl-1-[[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.22	7.48	-8.76	2	6	0	81	372.465	8	↓ MOL2 SDF SMILES Flexibase

69722488

Analogs

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Popular Name: 4-ethoxy-N-[(1S)-2-methyl-1-[[(1R)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 4-ethoxy-N-[(1S)-2-methyl-1-[[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.22	7.42	-8.41	2	6	0	81	372.465	8	↓ MOL2 SDF SMILES Flexibase

69722491

Analogs

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Popular Name: 4-ethoxy-N-[(1R)-2-methyl-1-[[(1R)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 4-ethoxy-N-[(1R)-2-methyl-1-[[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.22	7.48	-8.55	2	6	0	81	372.465	8	↓ MOL2 SDF SMILES Flexibase

69722494

Analogs

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Popular Name: 2-fluoro-N-[(1R)-2-methyl-1-[[(1R)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 2-fluoro-N-[(1R)-2-methyl-1-[[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	7.45	-11.49	2	5	0	71	346.402	6	↓ MOL2 SDF SMILES Flexibase

69722498

Analogs

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Popular Name: 2-fluoro-N-[(1R)-2-methyl-1-[[(1S)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 2-fluoro-N-[(1R)-2-methyl-1-[[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	7.43	-11.67	2	5	0	71	346.402	6	↓ MOL2 SDF SMILES Flexibase

69722499

Analogs

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Popular Name: 2-fluoro-N-[(1S)-2-methyl-1-[[(1R)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 2-fluoro-N-[(1S)-2-methyl-1-[[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	7.2	-11.55	2	5	0	71	346.402	6	↓ MOL2 SDF SMILES Flexibase

69722502

Analogs

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Popular Name: 2-fluoro-N-[(1S)-2-methyl-1-[[(1S)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 2-fluoro-N-[(1S)-2-methyl-1-[[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	7.2	-11.4	2	5	0	71	346.402	6	↓ MOL2 SDF SMILES Flexibase

69722512

Analogs

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Popular Name: 3-methyl-N-[(1S)-2-methyl-1-[[(1S)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 3-methyl-N-[(1S)-2-methyl-1-[[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.21	7.78	-8.14	2	5	0	71	342.439	6	↓ MOL2 SDF SMILES Flexibase

69722518

Analogs

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Popular Name: 3-methyl-N-[(1R)-2-methyl-1-[[(1S)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 3-methyl-N-[(1R)-2-methyl-1-[[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.21	7.78	-8.34	2	5	0	71	342.439	6	↓ MOL2 SDF SMILES Flexibase

69722521

Analogs

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Popular Name: 3-methyl-N-[(1S)-2-methyl-1-[[(1R)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 3-methyl-N-[(1S)-2-methyl-1-[[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.21	7.8	-8.44	2	5	0	71	342.439	6	↓ MOL2 SDF SMILES Flexibase

69722526

Analogs

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Popular Name: 3-methyl-N-[(1R)-2-methyl-1-[[(1R)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 3-methyl-N-[(1R)-2-methyl-1-[[(1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.21	7.8	-8.19	2	5	0	71	342.439	6	↓ MOL2 SDF SMILES Flexibase

69722529

Analogs

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Popular Name: 2,6-difluoro-N-[(1R)-2-methyl-1-[[(1R)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 2,6-difluoro-N-[(1R)-2-methyl-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.01	7.19	-11.62	2	5	0	71	364.392	6	↓ MOL2 SDF SMILES Flexibase

69722532

Analogs

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Popular Name: 2,6-difluoro-N-[(1R)-2-methyl-1-[[(1S)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 2,6-difluoro-N-[(1R)-2-methyl-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.01	7.19	-11.86	2	5	0	71	364.392	6	↓ MOL2 SDF SMILES Flexibase

69722535

Analogs

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Popular Name: 2,6-difluoro-N-[(1S)-2-methyl-1-[[(1R)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 2,6-difluoro-N-[(1S)-2-methyl-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.01	7.34	-11.98	2	5	0	71	364.392	6	↓ MOL2 SDF SMILES Flexibase

69722538

Analogs

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Popular Name: 2,6-difluoro-N-[(1S)-2-methyl-1-[[(1S)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 2,6-difluoro-N-[(1S)-2-methyl-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.01	7.33	-11.63	2	5	0	71	364.392	6	↓ MOL2 SDF SMILES Flexibase

69722889

Analogs

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Popular Name: 4-methoxy-N-[(1R)-2-methyl-1-[[(1R)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 4-methoxy-N-[(1R)-2-methyl-1-[[(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.84	6.54	-8.84	2	6	0	81	358.438	7	↓ MOL2 SDF SMILES Flexibase

69722891

Analogs

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Popular Name: 4-methoxy-N-[(1R)-2-methyl-1-[[(1S)-1-(5-methyl-2-furyl)ethyl]carbamoyl]propyl]benzamide 4-methoxy-N-[(1R)-2-methyl-1-[[(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.84	6.54	-9.01	2	6	0	81	358.438	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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